UCSF

ZINC39826968

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.20 10.04 -74.58 1 8 0 93 480.561 12
Lo Low (pH 4.5-6) 3.20 9.29 -47.63 2 8 1 90 481.569 12

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )